2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one

C17H13BrF3NO2 — CID 10862265

IUPAC2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one
SMILESO=C1COC(c2ccccc2Br)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13BrF3NO2/c18-14-4-2-1-3-13(14)16-22(15(23)10-24-16)9-11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2
InChIKeyBZLLURHDCYDDJR-UHFFFAOYSA-N
MW400.19 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one

2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one (PubChem CID 10862265) has the molecular formula C17H13BrF3NO2 and a molecular weight of 400.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one
PubChem CID10862265
Molecular FormulaC17H13BrF3NO2
Molecular Weight400.19 g/mol
Exact Mass399.01
IUPAC Name2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one
SMILESO=C1COC(c2ccccc2Br)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13BrF3NO2/c18-14-4-2-1-3-13(14)16-22(15(23)10-24-16)9-11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2
InChIKeyBZLLURHDCYDDJR-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one (CID 10862265) is 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one is O=C1COC(c2ccccc2Br)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one?
The InChIKey is BZLLURHDCYDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO2/c18-14-4-2-1-3-13(14)16-22(15(23)10-24-16)9-11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2.
What are the key properties of 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one?
2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one has a molecular weight of 400.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 10862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).